3,6,9,12-Tetraoxatetradecane-1,14-dioic acid - CAS 32775-08-9
Catalog: |
BB021403 |
Product Name: |
3,6,9,12-Tetraoxatetradecane-1,14-dioic acid |
CAS: |
32775-08-9 |
Synonyms: |
CH2COOH-PEG3-CH2COOH; 3,6,9,12-Tetraoxatetradecanedioic acid; COOH-CH2-PEG4-CH2-COOH; COOH-CH2-PEG3-CH2-COOH |
IUPAC Name: | 2-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethoxy]acetic acid |
Description: | 3,6,9,12-Tetraoxatetradecane-1,14-dioic acid is a polyethylene glycol (PEG)-based PROTAC linker that can be used in the synthesis of a series of PROTACs. |
Molecular Weight: | 266.25 |
Molecular Formula: | C10H18O8 |
Canonical SMILES: | C(COCCOCC(=O)O)OCCOCC(=O)O |
InChI: | InChI=1S/C10H18O8/c11-9(12)7-17-5-3-15-1-2-16-4-6-18-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) |
InChI Key: | BEAPHLNTCMLNPR-UHFFFAOYSA-N |
Boiling Point: | 468.0±35.0 °C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.278±0.06 g/cm3 (Predicted) |
Appearance: | Liquid |
Storage: | Store at 2-8°C |
LogP: | -0.77800 |
Publication Number | Title | Priority Date |
WO-2021152113-A1 | Substituted 2,3-benzodiazepines derivatives | 20200131 |
TW-201938556-A | Compounds and their use in the treatment of cancer | 20171221 |
US-10519152-B2 | Compounds and their use in treating cancer | 20171221 |
US-2019194190-A1 | Compounds and Their Use in Treating Cancer | 20171221 |
WO-2019123367-A1 | Compounds and their use in treating cancer | 20171221 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.10016753 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.10016753 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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